Crystallography Open Database

Information card for entry 1576790

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Coordinates	1576790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H147 Nd S3
Calculated formula	C108 H147 Nd S3
Title of publication	Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].
Authors of publication	Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	16
Pages of publication	8160 - 8167
a	14.123 ± 0.0002 Å
b	18.5883 ± 0.0003 Å
c	21.7952 ± 0.0003 Å
α	77.949 ± 0.001°
β	81.449 ± 0.001°
γ	83.276 ± 0.001°
Cell volume	5511.49 ± 0.14 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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